1-methyl-4-prop-2-enylpiperazine-2,5-dione

C8H12N2O2 — CID 117026284

IUPAC1-methyl-4-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1CC(=O)N(C)CC1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-6-7(11)9(2)5-8(10)12/h3H,1,4-6H2,2H3
InChIKeyMJYBGMBJCFFZPT-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.53
Rot. Bonds2

About 1-methyl-4-prop-2-enylpiperazine-2,5-dione

1-methyl-4-prop-2-enylpiperazine-2,5-dione (PubChem CID 117026284) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-prop-2-enylpiperazine-2,5-dione
PubChem CID117026284
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-methyl-4-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1CC(=O)N(C)CC1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-6-7(11)9(2)5-8(10)12/h3H,1,4-6H2,2H3
InChIKeyMJYBGMBJCFFZPT-UHFFFAOYSA-N
XLogP-0.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde
CID 79942571
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
CID 79937549
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanenitrile
CID 115825058
1-methyl-4-prop-2-ynylpiperazine-2,5-dione
CID 79941844
methyl 2-ethyl-4-(4-methyl-2,5-dioxopiperazin-1-yl)but-2-enoate
CID 79937372
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide
CID 79941482
1-methyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344647
1-(5-chloropentyl)-4-methylpiperazine-2,5-dione
CID 79937384
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanethioamide
CID 79937030
1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione
CID 115825071
1-(5-bromopentyl)-4-methylpiperazine-2,5-dione
CID 79936793

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 1-methyl-4-prop-2-enylpiperazine-2,5-dione (CID 117026284) is 1-methyl-4-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 1-methyl-4-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 1-methyl-4-prop-2-enylpiperazine-2,5-dione is C=CCN1CC(=O)N(C)CC1=O.
What is the InChIKey of 1-methyl-4-prop-2-enylpiperazine-2,5-dione?
The InChIKey is MJYBGMBJCFFZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-10-6-7(11)9(2)5-8(10)12/h3H,1,4-6H2,2H3.
What are the key properties of 1-methyl-4-prop-2-enylpiperazine-2,5-dione?
1-methyl-4-prop-2-enylpiperazine-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 117026284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).